1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone

C20H32N2O — CID 134292245

IUPAC1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone
SMILESCCC/C=C(/C)N1C=C(C(=O)CN2CCCCC2)C=C(C)C1C
InChIInChI=1S/C20H32N2O/c1-5-6-10-17(3)22-14-19(13-16(2)18(22)4)20(23)15-21-11-8-7-9-12-21/h10,13-14,18H,5-9,11-12,15H2,1-4H3/b17-10-
InChIKeyPYUNBYVDNXVHIZ-YVLHZVERSA-N
MW316.49 g/mol
LogP4.28
Rot. Bonds6

About 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone

1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone (PubChem CID 134292245) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone
PubChem CID134292245
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone
SMILESCCC/C=C(/C)N1C=C(C(=O)CN2CCCCC2)C=C(C)C1C
InChIInChI=1S/C20H32N2O/c1-5-6-10-17(3)22-14-19(13-16(2)18(22)4)20(23)15-21-11-8-7-9-12-21/h10,13-14,18H,5-9,11-12,15H2,1-4H3/b17-10-
InChIKeyPYUNBYVDNXVHIZ-YVLHZVERSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone (CID 134292245) is 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone is CCC/C=C(/C)N1C=C(C(=O)CN2CCCCC2)C=C(C)C1C.
What is the InChIKey of 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone?
The InChIKey is PYUNBYVDNXVHIZ-YVLHZVERSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-6-10-17(3)22-14-19(13-16(2)18(22)4)20(23)15-21-11-8-7-9-12-21/h10,13-14,18H,5-9,11-12,15H2,1-4H3/b17-10-.
What are the key properties of 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone?
1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone has a molecular weight of 316.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 134292245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).